Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK028787
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H37NO6 MW 483.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO6/c1-6-11-34-22-10-9-18(13-23(22)32-5)25-24(27(31)35-16-19-8-7-12-33-19)17(2)29-20-14-28(3,4)15-21(30)26(20)25/h9-10,13,19,25,29H,6-8,11-12,14-16H2,1-5H3
InChIKey
AFFAUGLMXSRDBE-UHFFFAOYSA-N
Synonyms

CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4CCCO4)C)OC
CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
InChI=1SC28H37NO6c1611342210918(1323(22)325)2524(27(31)35161987123319)17(2)29201428(34)1521(30)26(20)25h91013192529H6811121416H215H3
MFCD01461901
oxolan2ylmethyl4(3methoxy4propoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK028787
tetrahydrofuran2ylmethyl4(3methoxy4propoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000005225720
ZINC000005225735

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Available files

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